Integrated database for ADMET and adverse effect predictive Modeling


IDA2PM is a integrated database for ADMET and adverse effects based on FDA approved drug data, which have been developed as a useful resource for computational analyses and modelling. IDA2PM aims to bridge the gap by providing in a single resource, integrated detailed information on approved drugs such as structures, molecular descriptors, ADMET and adverse effects properties, target and also related bioactivity

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A summary of the database content is shown in Fig. 3, which present a chart plot of the different type of data collected and their sources. IDA2PM is categorized into four major groups: (1) Approved drugs information, structure and physico-chemical properties; (2) ADMET properties; (3) Adverse effects; (4) Target and affinity data. Currently, IDA2PM contains 19226 FDA applications data for 31815 products, 2505 drugs information (structures, molecular descriptors and ADMET),2.5 million drug-adverse effect pairs, 3382 targets and 36963 binding affinity data

Predictive Modeling

The user has the possibility to build complex queries to search the database and creates new nodes. Data mining using resources like IDA2PM can be employed to understand, for example, target function or the promiscuous nature of compounds binding to some class of protein. We can infer the relationships between target and their drugs to characterised molecular properties of compounds with specific ADMET-A. IDA2PM enable researchers to focus the chemical space with drug molecules of their interest connected through compound similarity with potential targets, and to perform data analysis and data mining from safe drugs data.